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Table 1 Charge analysis and bond length of NO molecule

From: Catalytic activities of noble metal atoms on WO3 (001): nitric oxide adsorption

 

NO

NO/WO 3

NO/Cu-WO 3

NO/Ag-WO 3

NO/Au-WO 3

N (e)

4.44

4.84

5.00

4.91

4.64

O (e)

6.56

6.35

6.43

6.42

6.40

N + O (e)

11

11.19

11.43

11.33

11.04

d N-O (Å)

1.170

1.181

1.212

1.203

1.182

  1. Bader charges of N and O atoms in a clean WO3(001) surface and various noble metal atom-deposited WO3(001) surfaces are given. Bader charges of N and O atoms in an isolated NO molecule are also given in the first column. The bond length d N-O in each system is also given.

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